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Chemical ID: 6032346
Chemical ID:
6032346
Name [?]:
N-cyclopropyl-N-[2-(isobutylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCC(C)C)C2CC2
InChi [?]:
InChI=1/C17H26N2O3/c1-11(2)10-18-16(20)7-8-19(14-5-6-14)17(21)15-9-12(3)22-13(15)4/h9,11,14H,5-8,10H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:18,19,1,7,21,22,12,11,3,16,17,2,5,20,4,13,8,15,10,14,9,6/E:(1,2)(5,6)/rA:22nCCCCCOCCONCCCONCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s17;s10;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0627 |
Area: | 525.169 |
Solvation: | -3.0665 |
Coulombic: | -43.4049 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 306.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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